Abstract
The strontium titanate $\ensuremath{\Sigma}3\phantom{\rule{0.3em}{0ex}}(112)\phantom{\rule{0.3em}{0ex}}[\overline{1}10]$ grain boundary has been investigated using aberration-corrected high-resolution transmission electron microscopy and exit wave-function reconstruction. By quantitatively comparing the experimental exit wave phase with that expected from relaxed model structures obtained by density-functional theory, it has been possible to differentiate between two proposed structures not significantly different in their calculated energies, and to deduce information about three-dimensional atomic arrangements near the boundary using the reconstructed exit wave-function phase.
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